(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole

C12H24N2 — CID 157157728

IUPAC(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole
SMILESCC(C)N1C[C@]2(C)CCN(C)[C@]2(C)C1
InChIInChI=1S/C12H24N2/c1-10(2)14-8-11(3)6-7-13(5)12(11,4)9-14/h10H,6-9H2,1-5H3/t11-,12+/m0/s1
InChIKeyFBIBEMCNDYJHSF-NWDGAFQWSA-N
MW196.34 g/mol
LogP1.81
Rot. Bonds1

About (3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole

(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole (PubChem CID 157157728) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole
PubChem CID157157728
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole
SMILESCC(C)N1C[C@]2(C)CCN(C)[C@]2(C)C1
InChIInChI=1S/C12H24N2/c1-10(2)14-8-11(3)6-7-13(5)12(11,4)9-14/h10H,6-9H2,1-5H3/t11-,12+/m0/s1
InChIKeyFBIBEMCNDYJHSF-NWDGAFQWSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
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3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of (3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole (CID 157157728) is (3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for (3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole is CC(C)N1C[C@]2(C)CCN(C)[C@]2(C)C1.
What is the InChIKey of (3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole?
The InChIKey is FBIBEMCNDYJHSF-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)14-8-11(3)6-7-13(5)12(11,4)9-14/h10H,6-9H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of (3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole?
(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole has a molecular weight of 196.34 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 157157728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).